N-(3-hydroxycyclohexyl)-3-methylbut-2-enamide

C11H19NO2 — CID 130157948

IUPACN-(3-hydroxycyclohexyl)-3-methylbut-2-enamide
SMILESCC(C)=CC(=O)NC1CCCC(O)C1
InChIInChI=1S/C11H19NO2/c1-8(2)6-11(14)12-9-4-3-5-10(13)7-9/h6,9-10,13H,3-5,7H2,1-2H3,(H,12,14)
InChIKeySZZOHBPQVDWMLA-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.37
Rot. Bonds2

About N-(3-hydroxycyclohexyl)-3-methylbut-2-enamide

N-(3-hydroxycyclohexyl)-3-methylbut-2-enamide (PubChem CID 130157948) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is N-(3-hydroxycyclohexyl)-3-methylbut-2-enamide.

Molecular Properties

Compound NameN-(3-hydroxycyclohexyl)-3-methylbut-2-enamide
PubChem CID130157948
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC NameN-(3-hydroxycyclohexyl)-3-methylbut-2-enamide
SMILESCC(C)=CC(=O)NC1CCCC(O)C1
InChIInChI=1S/C11H19NO2/c1-8(2)6-11(14)12-9-4-3-5-10(13)7-9/h6,9-10,13H,3-5,7H2,1-2H3,(H,12,14)
InChIKeySZZOHBPQVDWMLA-UHFFFAOYSA-N
XLogP1.37
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-(3-hydroxycyclohexyl)-3-methylbut-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxycyclohexyl)-3-methylbut-2-enamide?
The IUPAC name of N-(3-hydroxycyclohexyl)-3-methylbut-2-enamide (CID 130157948) is N-(3-hydroxycyclohexyl)-3-methylbut-2-enamide.
What is the SMILES notation for N-(3-hydroxycyclohexyl)-3-methylbut-2-enamide?
The canonical SMILES for N-(3-hydroxycyclohexyl)-3-methylbut-2-enamide is CC(C)=CC(=O)NC1CCCC(O)C1.
What is the InChIKey of N-(3-hydroxycyclohexyl)-3-methylbut-2-enamide?
The InChIKey is SZZOHBPQVDWMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-8(2)6-11(14)12-9-4-3-5-10(13)7-9/h6,9-10,13H,3-5,7H2,1-2H3,(H,12,14).
What are the key properties of N-(3-hydroxycyclohexyl)-3-methylbut-2-enamide?
N-(3-hydroxycyclohexyl)-3-methylbut-2-enamide has a molecular weight of 197.28 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxycyclohexyl)-3-methylbut-2-enamide is sourced from PubChem (CID 130157948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).